# Bonding information for index 401 -- 0MA_15@O3 0MA_13@H4O 0MA_13@O4 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 ## Starting information for simulation # 2 ## Starting information for simulation # 3 401 3 7498 1 2.85 3.0151 8.620 401 3 7499 1 2.77 3.0739 8.647 401 3 7500 1 2.75 2.8586 8.649 401 3 7501 1 2.88 1.8631 9.345 401 3 7507 1 2.89 1.8999 9.898 401 3 7509 1 2.72 2.7942 9.853 401 3 7512 1 2.88 2.0304 10.045 401 3 7513 1 2.84 2.8671 9.615 401 3 7514 1 2.50 2.9221 10.207 401 3 7524 1 2.88 1.7953 9.806 401 3 7535 1 2.70 2.3666 10.218 401 3 7537 1 2.77 2.7309 9.242 401 3 7538 1 2.64 2.8166 7.905 401 3 7595 1 2.85 2.4789 7.167 401 3 7598 1 2.90 2.7237 8.202 401 3 8356 1 2.97 2.2684 8.661 401 3 8358 1 2.91 2.6814 7.733 401 3 8359 1 2.79 2.7750 8.701 401 3 8360 1 2.58 2.8885 8.466 401 3 8361 1 2.85 2.9094 7.821 401 3 8362 1 2.76 3.0184 7.842 401 3 8363 1 2.69 2.9513 7.865 401 3 8364 1 2.91 2.9489 7.938 401 3 8365 1 2.66 2.9751 8.362 401 3 8366 1 2.74 2.9487 8.733 401 3 8367 1 2.79 2.9113 8.882 401 3 8368 1 2.69 3.0740 9.300 401 3 8369 1 2.95 2.5528 8.389 ## Starting information for simulation # 4 401 4 1461 1 2.86 2.9115 11.964 401 4 1488 1 2.85 2.5441 12.003 401 4 1489 1 2.68 3.0090 12.041 401 4 1729 1 2.79 2.7398 11.867 ## Starting information for simulation # 5 401 5 5263 1 2.67 2.6471 11.920 401 5 5264 1 2.99 2.1160 11.801 401 5 5329 1 2.69 2.9192 11.691 401 5 5330 1 2.74 2.9345 11.747 401 5 5331 1 2.72 2.9641 12.407 401 5 5332 1 2.78 2.9669 12.576 401 5 5351 1 2.98 2.8981 12.058 401 5 5352 1 2.69 2.7333 12.075 401 5 5401 1 2.96 2.9069 11.773 401 5 5403 1 2.67 3.0039 11.790 401 5 5404 1 2.82 2.8510 11.845 401 5 5515 1 2.74 2.2856 12.386 401 5 5934 1 2.63 2.3933 12.399 401 5 5936 1 2.64 2.9498 12.932 401 5 5937 1 2.67 2.9578 12.734 401 5 5938 1 2.88 2.9085 12.062 401 5 5940 1 2.84 2.6013 12.464 401 5 5943 1 2.88 2.8649 12.251 401 5 6232 1 2.70 2.8054 11.875 401 5 8098 1 2.74 2.9685 10.924 401 5 8200 1 2.66 2.8810 10.674 401 5 8389 1 2.75 2.9782 12.318 401 5 8397 1 2.79 2.9562 12.121 401 5 8402 1 2.63 2.9663 12.223 ## Starting information for simulation # 6 ## Starting information for simulation # 7 ## Starting information for simulation # 8 ## Starting information for simulation # 9 ## Starting information for simulation # 10 ## Starting information for simulation # 11 ## Starting information for simulation # 12 ## Starting information for simulation # 13 401 13 5828 1 2.99 2.0471 11.563 ## Starting information for simulation # 14 ## Starting information for simulation # 15 ## Starting information for simulation # 16 ## Starting information for simulation # 17 ## Starting information for simulation # 18 ## Starting information for simulation # 19 ## Starting information for simulation # 20 ## Starting information for simulation # 21 ## Starting information for simulation # 22 401 22 157 1 2.99 2.3319 12.785 401 22 519 1 2.63 2.7121 13.259 401 22 520 1 2.69 2.8892 12.898 401 22 521 1 2.89 2.9296 13.125 401 22 522 1 2.83 2.7709 13.981 401 22 523 1 2.71 2.8803 13.847 401 22 524 1 2.56 2.9197 14.093 401 22 525 1 2.90 3.0043 13.795 401 22 526 1 2.77 3.0676 13.836 401 22 527 1 2.83 2.9783 13.988 401 22 528 1 2.74 2.9681 13.373 401 22 529 1 2.61 2.6971 13.747 401 22 530 1 2.64 2.6447 13.345 401 22 1390 1 2.70 2.7853 12.558 401 22 1391 1 2.80 2.8284 12.423 401 22 1392 1 2.91 2.9207 12.598 401 22 1393 1 2.51 2.7327 12.235 401 22 1394 1 2.99 2.7428 12.801 401 22 1395 1 2.64 2.7497 12.742 401 22 1396 1 2.77 2.6714 12.584 401 22 1397 1 2.70 2.7113 12.803 401 22 1398 1 2.62 2.8389 12.652 401 22 1399 1 2.89 2.9413 12.620 401 22 1400 1 2.66 2.9243 12.251 401 22 1401 1 2.90 2.7747 13.022 401 22 1402 1 2.63 2.8855 12.551 401 22 2326 1 2.91 2.4377 12.811 401 22 2336 1 2.93 2.4386 12.366 401 22 2443 1 2.76 2.8325 13.239 401 22 2444 1 2.83 2.4891 13.401 401 22 2445 1 2.65 2.9312 12.711 401 22 2446 1 2.58 2.6840 13.054 401 22 2447 1 2.81 2.7687 13.054 401 22 2448 1 2.79 3.0867 13.304 401 22 2449 1 2.77 2.7967 12.960 401 22 2450 1 2.78 2.7934 12.711 401 22 2451 1 2.78 2.9414 12.651 401 22 2452 1 2.70 3.0493 12.578 401 22 2453 1 2.91 2.8808 12.778 401 22 2454 1 2.70 2.9325 13.076 401 22 2455 1 2.88 2.6377 12.807 401 22 2472 1 2.84 2.8043 12.339 401 22 2473 1 2.65 2.9445 12.901 401 22 2474 1 2.91 2.7807 12.526 401 22 2475 1 2.72 2.8153 12.231 ## Starting information for simulation # 23 ## Starting information for simulation # 24 ## Starting information for simulation # 25 ## Starting information for simulation # 26 401 26 1391 1 2.69 2.5399 7.065 401 26 1392 1 2.61 2.8288 7.166 401 26 1393 1 2.69 2.8993 6.846 401 26 1394 1 2.78 2.7742 6.884 401 26 1395 1 2.84 2.8919 6.204 401 26 1396 1 2.98 2.2411 6.958 401 26 1398 1 2.91 2.5069 6.295 401 26 1399 1 2.79 2.6154 6.356 401 26 1400 1 2.75 2.7189 6.150 401 26 1401 1 2.88 2.6903 6.446 401 26 1415 1 2.93 2.3143 6.469 401 26 1534 1 2.71 2.5636 7.372 401 26 1535 1 2.84 3.0262 7.367 401 26 1536 1 2.95 2.6175 7.213 401 26 1537 1 2.88 2.6661 7.453 401 26 1540 1 2.64 2.7592 8.035 ## Starting information for simulation # 27 ## Starting information for simulation # 28 401 28 726 1 2.67 2.9434 12.713 401 28 727 1 2.68 3.0527 12.469 401 28 728 1 2.85 2.8720 12.312 401 28 729 1 2.89 2.9536 12.061 401 28 731 1 2.76 3.0522 12.191 401 28 732 1 2.92 2.9515 12.708 401 28 733 1 2.69 2.9298 12.854 401 28 734 1 2.62 2.9132 11.952 401 28 879 1 2.81 2.4979 12.565 401 28 880 1 2.73 3.0537 12.900 401 28 881 1 2.74 3.1324 13.247 401 28 882 1 2.75 3.0444 12.914 401 28 883 1 2.78 2.6938 12.691 401 28 886 1 3.00 2.8532 12.256 401 28 887 1 2.89 2.6063 12.646 401 28 888 1 2.80 2.9086 11.251 401 28 889 1 2.93 2.4909 11.594 401 28 890 1 2.64 2.8594 12.042 401 28 965 1 2.66 2.8888 12.936 401 28 966 1 2.63 2.8674 12.836 401 28 967 1 2.62 2.9105 12.428 401 28 968 1 2.86 2.9851 12.214 401 28 969 1 2.90 2.9091 12.539 401 28 970 1 2.65 2.9877 12.604 401 28 971 1 2.79 3.0654 12.890 401 28 972 1 2.85 2.5533 12.523 401 28 973 1 2.85 2.7797 12.978 401 28 974 1 2.66 2.6663 12.942 401 28 975 1 2.79 2.8437 13.111 401 28 978 1 2.75 2.9714 12.333 401 28 979 1 2.70 2.9592 12.600 401 28 980 1 2.89 2.7785 12.515 ## Starting information for simulation # 29 ## Starting information for simulation # 30 ## Starting information for simulation # 31 ## Starting information for simulation # 32 ## Starting information for simulation # 33 ## Starting information for simulation # 34 ## Starting information for simulation # 35 401 35 9757 1 2.93 2.8730 13.134 401 35 9758 1 2.76 2.7114 12.456 401 35 9759 1 2.56 2.7909 12.703 401 35 9760 1 2.82 2.8927 12.734 401 35 9761 1 2.77 2.9940 13.005 401 35 9762 1 2.59 2.8316 12.079 401 35 9763 1 2.84 3.0981 12.886 401 35 9764 1 2.65 3.0240 13.532 401 35 9765 1 2.55 2.7177 13.447 401 35 9766 1 2.91 2.7598 13.371 401 35 9767 1 2.79 2.6432 13.307 401 35 9768 1 2.68 2.9940 13.305 401 35 9769 1 2.94 2.8590 13.371 401 35 9770 1 2.76 2.8093 13.364 401 35 9771 1 2.72 2.9254 13.219 401 35 9772 1 2.85 2.4748 13.437 401 35 9773 1 2.63 3.0229 13.391 ## Starting information for simulation # 36